N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H23ClN6O3 — CID 1089221

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O3/c1-26-15-3-2-13(12-14(15)19)20-16-21-17(24-4-8-27-9-5-24)23-18(22-16)25-6-10-28-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyJLTONPRENNPEAR-UHFFFAOYSA-N
MW406.87 g/mol
LogP1.95
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1089221) has the molecular formula C18H23ClN6O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1089221
Molecular FormulaC18H23ClN6O3
Molecular Weight406.87 g/mol
Exact Mass406.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O3/c1-26-15-3-2-13(12-14(15)19)20-16-21-17(24-4-8-27-9-5-24)23-18(22-16)25-6-10-28-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyJLTONPRENNPEAR-UHFFFAOYSA-N
XLogP1.95
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1089221) is N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JLTONPRENNPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O3/c1-26-15-3-2-13(12-14(15)19)20-16-21-17(24-4-8-27-9-5-24)23-18(22-16)25-6-10-28-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 406.87 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1089221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).